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CHEBI:68315 - 3-O-acetyl-8-O-demethylmaritidine Trifluoroacetic acid

Default Structure
ChEBI IDCHEBI:68315
ChEBI Name3-O-acetyl-8-O-demethylmaritidine Trifluoroacetic acid
Stars
DefinitionA natural product found in Crinum asiaticum var. sinicum.
DownloadsMolfile
FormulaC18H21NO4.C2HF3O2
Net Charge0
Average Mass429.391
Monoisotopic Mass429.13992
SMILESO=C(O)C(F)(F)F.[H][C@]12C[C@H](OC(C)=O)C=C[C@@]13CCN2Cc1cc(O)c(OC)cc13
InChIInChI=1S/C18H21NO4.C2HF3O2/c1-11(20)23-13-3-4-18-5-6-19(17(18)8-13)10-12-7-15(21)16(22-2)9-14(12)18;3-2(4,5)1(6)7/h3-4,7,9,13,17,21H,5-6,8,10H2,1-2H3;(H,6,7)/t13-,17+,18+;/m1./s1
InChIKeyHERFZNMLZYGZDD-CHPYXAQWSA-N
Species of MetaboliteComponentSourceComments
Crinum asiaticum var. sinicum (ncbitaxon:223245) leaf (BTO:0000713) PubMed (21314165) 95% ethanolic extract of dried, powdered leaves
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
3-O-acetyl-8-O-demethylmaritidine Trifluoroacetic acid (CHEBI:68315) has role metabolite (CHEBI:25212)
3-O-acetyl-8-O-demethylmaritidine Trifluoroacetic acid (CHEBI:68315) is a organic molecular entity (CHEBI:50860)
Citations